N-[2-(diethylamino)ethyl]-2-nitrobenzamide

C13H19N3O3 — CID 15943

IUPACN-[2-(diethylamino)ethyl]-2-nitrobenzamide
SMILESCCN(CC)CCNC(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H19N3O3/c1-3-15(4-2)10-9-14-13(17)11-7-5-6-8-12(11)16(18)19/h5-8H,3-4,9-10H2,1-2H3,(H,14,17)
InChIKeyKMRSAVQVMHWQBJ-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.67
Rot. Bonds7

About N-[2-(diethylamino)ethyl]-2-nitrobenzamide

N-[2-(diethylamino)ethyl]-2-nitrobenzamide (PubChem CID 15943) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-2-nitrobenzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-2-nitrobenzamide
PubChem CID15943
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC NameN-[2-(diethylamino)ethyl]-2-nitrobenzamide
SMILESCCN(CC)CCNC(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H19N3O3/c1-3-15(4-2)10-9-14-13(17)11-7-5-6-8-12(11)16(18)19/h5-8H,3-4,9-10H2,1-2H3,(H,14,17)
InChIKeyKMRSAVQVMHWQBJ-UHFFFAOYSA-N
XLogP1.67
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-(diethylamino)propyl]-2-nitrobenzamide
CID 3286089
N-[2-(dimethylamino)ethyl]-2-nitrobenzamide
CID 15287848
N-[2-(diethylamino)ethyl]-5-hydroxy-2-nitrobenzamide
CID 102740736
N-[2-(N-methylanilino)ethyl]-2-nitrobenzamide
CID 25395219
N-[2-(ethylamino)ethyl]-2-nitrobenzamide
CID 62658043
N-[[2-(diethylaminomethyl)phenyl]methyl]-2-nitrobenzamide
CID 41439050
2-[2-(diethylamino)ethylcarbamoyl]benzoic acid
CID 17218370
N-[2-(diethylamino)ethyl]-2-hydroxybenzamide;hydrochloride
CID 21331721
N-(3-chloropropyl)-2-nitrobenzamide
CID 3113440
N-(3-iodopropyl)-2-nitrobenzamide
CID 114504241
(Z)-3-[2-[2-(diethylamino)ethylcarbamoyl]phenyl]-2-hydroxy-3-phenylprop-2-enoic acid
CID 20834316
3-amino-N-[2-(diethylamino)ethyl]-4-nitrobenzamide
CID 62682092

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-2-nitrobenzamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-2-nitrobenzamide (CID 15943) is N-[2-(diethylamino)ethyl]-2-nitrobenzamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-2-nitrobenzamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-2-nitrobenzamide is CCN(CC)CCNC(=O)c1ccccc1[N+](=O)[O-].
What is the InChIKey of N-[2-(diethylamino)ethyl]-2-nitrobenzamide?
The InChIKey is KMRSAVQVMHWQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-3-15(4-2)10-9-14-13(17)11-7-5-6-8-12(11)16(18)19/h5-8H,3-4,9-10H2,1-2H3,(H,14,17).
What are the key properties of N-[2-(diethylamino)ethyl]-2-nitrobenzamide?
N-[2-(diethylamino)ethyl]-2-nitrobenzamide has a molecular weight of 265.31 g/mol, XLogP of 1.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-2-nitrobenzamide is sourced from PubChem (CID 15943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).